E0407

Estramustine sodium phosphate

• Synonym(s): Estra-1,3,5(10)triene-3,17ß-diol 3-[N,N-bis(2-chloroethyl)carbamate] 17-(dihydrogen phosphate) sodium salt, Estradiol 3-bis(2-chloroethyl)carbamate 17-(dihydrogen phosphate) sodium salt
• Empirical Formula (Hill Notation): C₂₃H₃₀Cl₂NNa₂O₆P
• CAS Number: 52205-73-9
• Molecular Weight: 564.35
• EC Number: 257-735-7
• MDL number: MFCD00866320
• UNSPSC Code: 51111800
• PubChem Substance ID: 329798968
• NACRES: NA.28

Properties

• assay: ≥85.0% (HPLC)
• form: powder
• solubility: H₂O: 50 mg/mL
• shipped in: ambient
• storage temp.: room temp
• SMILES string: [H][C@]12[C@@]([C@@](CC[C@@H]3OP([O-])([O-])=O)([H])[C@]3(C)CC2)([H])CCC4=C1C=CC(OC(N(CCCl)CCCl)=O)=C4.[Na+].[Na+]
• InChI: 1S/C23H32Cl2NO6P.2Na/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30;;/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30);;/q;2*+1/p-2/t18-,19-,20+,21+,23+;;/m1../s1
• InChI key: IIUMCNJTGSMNRO-VVSKJQCTSA-L
• Gene Information: human ... ESR2(2100)

Description

Biochem/physiol Actions

Estradiol mustard prodrug, which binds estradiol receptors irreversibly. Highly effective in treatment of advanced metastatic prostate cancer. Depolymerizes microtubules by binding to microtubule associated proteins (MAPs).

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves